7FTM
Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-29 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000010 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 48.268, 59.837, 125.041 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.837 - 1.698 |
R-factor | 0.1922 |
Rwork | 0.190 |
R-free | 0.23210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (dev_3139) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 59.840 | 59.837 | 1.740 |
High resolution limit [Å] | 1.700 | 7.590 | 1.700 |
Rmerge | 0.058 | 0.031 | 3.409 |
Rmeas | 0.063 | 0.034 | 3.666 |
Total number of observations | 296495 | ||
Number of reflections | 40847 | 545 | 2967 |
<I/σ(I)> | 14.88 | 49.35 | 0.52 |
Completeness [%] | 99.9 | 98.7 | 99.9 |
Redundancy | 7.259 | 5.921 | 7.462 |
CC(1/2) | 0.999 | 0.999 | 0.199 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 10-12 mg/mL protein in 25 mM Tris/HCl pH7.5, 500mM NaCl, 2mM TCEP, supplemented with 10x molar excess of ligand and, if needed, with 10 mM MgCl2 and 5mM ATP, then mixed 1:1 with reservoir of the Procomplex screen. Several conditions resulted in crystals |